N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide

C15H25N3O2 — CID 5307642

IUPACN-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
SMILESCCOCCCNC(=O)Cn1cc2c(n1)CCCCC2
InChIInChI=1S/C15H25N3O2/c1-2-20-10-6-9-16-15(19)12-18-11-13-7-4-3-5-8-14(13)17-18/h11H,2-10,12H2,1H3,(H,16,19)
InChIKeyZQHKUEXFEJLGPC-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.69
Rot. Bonds7

About N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide

N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide (PubChem CID 5307642) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
PubChem CID5307642
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
SMILESCCOCCCNC(=O)Cn1cc2c(n1)CCCCC2
InChIInChI=1S/C15H25N3O2/c1-2-20-10-6-9-16-15(19)12-18-11-13-7-4-3-5-8-14(13)17-18/h11H,2-10,12H2,1H3,(H,16,19)
InChIKeyZQHKUEXFEJLGPC-UHFFFAOYSA-N
XLogP1.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetyl]amino]piperidine-1-carboxylate
CID 5308521
N-(3-morpholin-4-ylpropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5309028
N-(3-methylbutyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5309220
N-(2-morpholin-4-ylethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5309690
N-cycloheptyl-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307472
N-(3-methoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5309509
N-(2,3-dimethylcyclohexyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5307263
N-(3-methoxypropyl)-2-(5-methyl-4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307796
N-(2-methoxyethyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5308130
N-(3-ethoxypropyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5308149
1-piperidin-1-yl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)ethanone
CID 5308516
N-cycloheptyl-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5309486

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The IUPAC name of N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide (CID 5307642) is N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide is CCOCCCNC(=O)Cn1cc2c(n1)CCCCC2.
What is the InChIKey of N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
The InChIKey is ZQHKUEXFEJLGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-2-20-10-6-9-16-15(19)12-18-11-13-7-4-3-5-8-14(13)17-18/h11H,2-10,12H2,1H3,(H,16,19).
What are the key properties of N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide?
N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide has a molecular weight of 279.38 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide is sourced from PubChem (CID 5307642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).